SCHEMBL9217147

SCHEMBL9217147

CS/C(=N\C(=O)c1ccc(Cl)nc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.52
KCNQ2 O43526 3/20 0.52
KCNE1 P15382 3/20 0.52
KCNQ1 P51787 3/20 0.52
DGAT1 O75907 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
BRAF P15056 2/20 0.46
MAPT P10636 4/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KDR P35968 2/20 0.44
TSHR P16473 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL827647 0.82 BRAF (0.56) MEN1KMT2ABRAFMAPTHTT
SCHEMBL827645 0.77 CCR2 (0.57) MAPTHTTRAB9ATSHRNPC1
SCHEMBL9217237 0.74 MAPT (0.64) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL12336440 0.72 MAPT (0.55) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL12336328 0.71 MAPT (0.54) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL2303956 0.71 KMT2A (0.66) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL30926600 0.71 KMT2A (0.73) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL2944355 0.71 KDR (0.79) KCNQ3KCNQ2KCNE1KCNQ1CYP2C9
SCHEMBL27179739 0.71 KMT2A (0.73) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL16661203 0.69 DGAT1 (1.00) KCNQ3KCNQ2KCNE1KCNQ1DGAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A KCNQ3 3130/4885KCNQ2 3409/4885KCNE1 2040/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.